Geometry & MOs

Info

ID:	8382
PubChem CID:	76985
Reduced:	OSC8H8 (1)
Stoich.:	ABC8D8 (1)
Weight, g/mol:	152.029586
ΔH_f, kcal/mol:	-4.61
Dipole, Da:	2.81
IP(EA), eV:	-8.73(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylsulfanylbenzaldehyde

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C=O

DOS

IR

Vibrations